Geometry & MOs

Info

ID:	370438
PubChem CID:	127338757
Reduced:	N4O4C17H26 (1)
Stoich.:	A4B4C17D26 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-200.72
Dipole, Da:	4.11
IP(EA), eV:	-9.35(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylsulfonyl)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3CCC(=O)N(C3)C

DOS

IR

Vibrations